(4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine

C14H20BrN — CID 125450649

IUPAC(4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine
SMILESCCC1(CC)CNC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-3-14(4-2)10-16-9-13(14)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyOELZWCNCNTZEEB-ZDUSSCGKSA-N
MW282.22 g/mol
LogP3.94
Rot. Bonds3

About (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine

(4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine (PubChem CID 125450649) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine
PubChem CID125450649
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name(4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine
SMILESCCC1(CC)CNC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-3-14(4-2)10-16-9-13(14)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyOELZWCNCNTZEEB-ZDUSSCGKSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine?
The IUPAC name of (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine (CID 125450649) is (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine.
What is the SMILES notation for (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine?
The canonical SMILES for (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine is CCC1(CC)CNC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine?
The InChIKey is OELZWCNCNTZEEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-14(4-2)10-16-9-13(14)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine?
(4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine has a molecular weight of 282.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-bromophenyl)-3,3-diethylpyrrolidine is sourced from PubChem (CID 125450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).